N-[(E)-[azanyl-(6-methoxypyrazin-2-yl)methylidene]amino]azepane-1-carbothioamide

Systemtic Name: N-[(E)-[azanyl-(6-methoxypyrazin-2-yl)methylidene]amino]azepane-1-carbothioamide Openeye Name: N-[(E)-[amino-(6-methoxypyrazin-2-yl)methylene]amino]azepane-1-carbothioamide CAS Name: N-[(E)-[amino-(6-methoxy-2-pyrazinyl)methylidene]amino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-[amino-(6-methoxypyrazin-2-yl)methylidene]amino]azepane-1-carbothioamide Traditional Name: N-[(E)-[amino-(6-methoxypyrazin-2-yl)methylene]amino]azepane-1-carbothioamide Formula: C13H20N6OS MolecularWeight: 308.4025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=CN=C1)C(=NNC(=S)N2CCCCCC2)N

Isomeric SMILES

COC1=NC(=CN=C1)/C(=N\NC(=S)N2CCCCCC2)/N

InChI

InChI=1S/C13H20N6OS/c1-20-11-9-15-8-10(16-11)12(14)17-18-13(21)19-6-4-2-3-5-7-19/h8-9H,2-7H2,1H3,(H2,14,17)(H,18,21)